TDR Targets

Basic information

Technical information

TDR Targets ID: 1239387
Name: 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)- methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzami de
MW: 484.568 | Formula: C24H28N4O5S
H donors: 1 H acceptors: 4 LogP: 2.59 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cccc(c1)S(=O)(=O)N(c1c(C)n(n(c1=O)c1ccccc1)C)C)NCC1CCCO1
InChi: 1S/C24H28N4O5S/c1-17-22(24(30)28(26(17)2)19-10-5-4-6-11-19)27(3)34(31,32)21-13-7-9-18(15-21)23(29)25-16-20-12-8-14-33-20/h4-7,9-11,13,15,20H,8,12,14,16H2,1-3H3,(H,25,29)
InChiKey: PHFUXSXQZAQLFT-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylsulfamoyl]-N-(2-tetrahydrofuranylmethyl)benzamide
3-[(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]-N-(tetrahydrofurfuryl)benzamide
3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
T5436248

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium leprae	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.0051	0.0312	0.0851
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit alpha	0.0341	0.3387	0.5
Plasmodium falciparum	phenylalanine--tRNA ligase alpha subunit	0.0071	0.0531	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0538	0.5811
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0531	0.4082
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.0195	0.1926
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0234	0.021
Schistosoma mansoni	hypothetical protein	0.0025	0.0038	0.0153
Onchocerca volvulus		0.004	0.0195	0.5
Schistosoma mansoni	hypothetical protein	0.0036	0.0157	0.1501
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.017	0.1574	0.4322
Loa Loa (eye worm)	hypothetical protein	0.004	0.0195	0.1495
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0348	0.346	1
Toxoplasma gondii	phenylalanyl-tRNA synthetase alpha chain A, putative	0.0071	0.0531	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0195	0.1495
Echinococcus multilocularis	transient receptor potential gamma protein	0.0107	0.0908	0.0886
Echinococcus multilocularis	GPCR, family 2	0.0036	0.0157	0.0133
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0348	0.346	1
Echinococcus multilocularis	phenylalanyl tRNA synthetase alpha chain B	0.0071	0.0531	0.0508
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0036	0.0157	0.0533
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.0195	0.0171
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0062	0.043
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0036	0.0157	0.1501
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0348	0.346	1
Schistosoma mansoni	transient receptor potential channel	0.0071	0.0524	0.5654
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1302	1
Echinococcus multilocularis	transient receptor potential ion channel A	0.0103	0.087	0.0848
Loa Loa (eye worm)	hypothetical protein	0.004	0.0195	0.1495
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0348	0.346	1
Echinococcus granulosus	short transient receptor potential channel 6	0.0071	0.0524	0.5654
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0538	0.0515
Onchocerca volvulus		0.004	0.0195	0.5
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0985	0.7567
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0114	0.0985	0.7567
Brugia malayi	Latrophilin receptor protein 2	0.0036	0.0157	0.0533
Brugia malayi	beta-lactamase	0.004	0.0195	0.0843
Schistosoma mansoni	transient receptor potential channel	0.0071	0.0524	0.5654
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0195	0.1926
Chlamydia trachomatis	phenylalanine--tRNA ligase subunit alpha	0.0341	0.3387	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0348	0.346	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0234	0.2369
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.0195	0.0843
Brugia malayi	MH2 domain containing protein	0.0144	0.1302	1
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit alpha	0.0341	0.3387	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0078	0.0602	0.4211
Echinococcus granulosus	phenylalanyl tRNA synthetase alpha chain B	0.0071	0.0531	0.5737
Trypanosoma cruzi	phenylalanyl-tRNA synthetase alpha chain, putative	0.0071	0.0531	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0036	0.0157	0.1501
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0195	0.1926
Schistosoma mansoni	hypothetical protein	0.0078	0.0602	0.6534
Brugia malayi	Bromodomain containing protein	0.0091	0.0734	0.5302
Echinococcus multilocularis	short transient receptor potential channel 6	0.0071	0.0524	0.0501
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0062	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0158	0.1213
Loa Loa (eye worm)	hypothetical protein	0.004	0.0196	0.1504
Schistosoma mansoni	transient receptor potential channel 4	0.0107	0.0908	1
Loa Loa (eye worm)	beta-lactamase	0.004	0.0195	0.1495
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.0341	0.3387	1
Onchocerca volvulus		0.004	0.0195	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0036	0.0157	0.1207
Echinococcus granulosus	short transient receptor potential channel 6	0.0071	0.0524	0.5654
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0038	0.0292
Brugia malayi	phenylalanyl (f) trna synthetase protein 1	0.0071	0.0531	0.3628
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0486	0.3735
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.0195	0.1495
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0295	0.2268
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0348	0.346	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0157	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0602	0.4623
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0062	0.043
Echinococcus granulosus	transient receptor potential ion channel A	0.0103	0.087	0.9572
Loa Loa (eye worm)	hypothetical protein	0.0052	0.032	0.2456
Echinococcus granulosus	GPCR family 2	0.0036	0.0157	0.1501
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0348	0.346	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1302	1
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.004	0.0196	0.0172
Giardia lamblia	Fructose-bisphosphate aldolase	0.0348	0.346	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0157	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0908	0.6976
Schistosoma mansoni	transient receptor potential channel	0.0107	0.0908	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0348	0.346	1
Leishmania major	phenylalanyl-tRNA synthetase alpha chain, putative	0.0071	0.0531	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0679	0.5216
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0265	0.2035
Trypanosoma brucei	phenylalanyl-tRNA synthetase alpha chain, putative	0.0071	0.0531	1
Echinococcus multilocularis	short transient receptor potential channel 6	0.0071	0.0524	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0157	0.1207
Schistosoma mansoni	hypothetical protein	0.0036	0.0157	0.1501
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0584	0.633
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0036	0.0157	0.0133
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0036	0.0157	0.0133
Loa Loa (eye worm)	hypothetical protein	0.004	0.0195	0.1495
Loa Loa (eye worm)	hypothetical protein	0.004	0.0195	0.1495
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0071	0.0531	0.5737
Loa Loa (eye worm)	hypothetical protein	0.004	0.0195	0.1495
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0348	0.346	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0348	0.346	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.017	0.1574	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0348	0.346	1
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0071	0.0531	0.1032
Echinococcus granulosus	transient receptor potential gamma protein	0.0107	0.0908	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0254	0.2462	0.7103
Echinococcus granulosus	TRP transient receptor potential channel	0.004	0.0196	0.1938
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0114	0.0985	0.738
Brugia malayi	Transient-receptor-potential like protein	0.004	0.0196	0.0852
Brugia malayi	beta-lactamase family protein	0.004	0.0195	0.0843
Brugia malayi	Bromodomain containing protein	0.0046	0.0264	0.1417
Brugia malayi	beta-lactamase family protein	0.004	0.0195	0.0843
Plasmodium vivax	phenylalanine--tRNA ligase alpha subunit, putative	0.0071	0.0531	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.017	0.1574	0.4322
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0114	0.0985	0.738

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	1.4716 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1315865

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1239387